PubChem CID | 186907 |
Molecular Formula | C17H12O6 |
Structure |
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Synonyms |
AFLATOXIN B1
1162-65-8 AFB1 AFBI (-)-Aflatoxin B1 NSC-529592 CCRIS 12 EINECS 214-603-3 UNII-9N2N2Y55MH BRN 1269174 9N2N2Y55MH CHEBI:2504 2,3,6aalpha,9aalpha-Tetrahydro-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione 1H,11H-Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione,2,3,6a,9a-tetrahydro-4-methoxy-, (6aR,9aS)- DTXSID9020035 MFCD00869647 (3S,7R)-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione (6aR,9aS)-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy- Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6aR,9aS)- 2,3,6aalpha,9aalpha-Tetrahydro-4-methoxycyclopenta(c)furo(2',3':4,5)furo(2,3-h)chromene-1,11-dione Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6aalpha,9aalpha-tetrahydro-4-methoxy- Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6aR-cis)- NSC 529592 HSDB 3453 NSC529592 (6AR-CIS)-2,3,6A,9A-TETRAHYDRO-4-METHOXYCYCLOPENTA(C)FURO(3',2':4,5)FURO(2,3-H)(1)BENZOPYRAN-1,11-DIONE 10279-73-9 1H,11H-CYCLOPENTA(C)FURO(3',2':4,5)FURO(2,3-H)(1)BENZOPYRAN-1,11-DIONE, 2,3,6A,9A-TETRAHYDRO-4-METHOXY-, (6AR,9AS)- Aflatoxin B1 2 microg/mL in Acetonitrile Aflatoxin B(1) Aflatoxin B1 from Aspergillus flavus, from Aspergillus flavus 5-carboxylate (6aR,9aS)-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta(c)furo(3',2':4,5)furo(2,3-h)chromene-1,11-dione 03 - Mycotoxins 779 - Aflatoxin AFLATOXIN B-1 (+/-)-Aflatoxin B1 AFLATOXIN B1 [MI] AFLATOXIN B1 [HSDB] BIDD:ER0313 SCHEMBL126480 5 - Mycotoxins in animal feed CHEMBL1697694 Aflatoxin B1, reference material DTXCID10820519 DTXSID00873175 BDBM120261 GLXC-20590 804 - Mycotoxins in dried fruits AMY22311 EX-A5480 HY-N6615 794 - Aflatoxin analysis of spices AKOS030241596 1ST7205 NCGC00247669-01 1ST7205-100A 2,3,6a,9a-tetrahydro-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzo-pyran-1,11-dione DA-70626 CS-0034371 Discontinued See D444270 (the trihydrate) NS00000079 45.06 ppb( inverted exclamation markA9.27 ppb) Aflatoxin B1 Solution in Acetonitrile, 100ug/mL Q4689278 (6aR-cis)-2,3,6a,9a-Tetrahydro-4-methoxycyclopenta WLN: T F5 C6 B655 DOV GV OO QO RUT&&TTJ LO1 Methyl 4-(4-Fluorophenyl)-6-isopropyl-2-(methylsulfonyl)pyrimidine- Aflatoxin B1, B2, G1, G2 and Ochratoxin A Mixture 1 microg/mL in Acetonitrile 1-CYCLOPENTENE-1-CARBOXYLIC ACID, 2-(3A,8A-DIHYDRO-4-HYDROXY-6-METHOXYFURO(2,3-B)BENZOFURAN-5-YL)-5-OXO-, DELTA-LACTONE 2,3,6aa,9aa-Tetrahydro-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(l)benzopyran-1,11-dione Cyclopenta[c]furo[3',5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy- Cyclopenta[c]furo[3',5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6aR-cis)- Cyclopenta[c]furo[3',5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a.alpha.,9a.alpha.-tetrahydro-4-methoxy- |
IUPAC Name | (3S,7R)-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione |
SMILES | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1 |
Canonical SMILES | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1 |
InChI | InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3/t8-,17+/m0/s1 |
InChIKey | OQIQSTLJSLGHID-WNWIJWBNSA-N |
Molecular Weight | 312.27 g/mol |
XLogP3 | 1.6 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 1 |
Exact Mass | 312.063 |
Monoisotopic Mass | 312.063 |
Topological Polar Surface Area | 71.1 |
Heavy Atom Count | 23 |
Formal Charge | 0 |
Complexity | 650 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 2 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Insect | Gene Symbol | Validation | Reference |
---|---|---|---|
Helicoverpa armigera | CYP6AE19 | R |